(2S)-2-[(4-acetamido-2-fluorophenyl)sulfonylamino]-3-cyclopropylpropanoic acid

C14H17FN2O5S — CID 154742047

IUPAC(2S)-2-[(4-acetamido-2-fluorophenyl)sulfonylamino]-3-cyclopropylpropanoic acid
SMILESCC(=O)Nc1ccc(S(=O)(=O)N[C@@H](CC2CC2)C(=O)O)c(F)c1
InChIInChI=1S/C14H17FN2O5S/c1-8(18)16-10-4-5-13(11(15)7-10)23(21,22)17-12(14(19)20)6-9-2-3-9/h4-5,7,9,12,17H,2-3,6H2,1H3,(H,16,18)(H,19,20)/t12-/m0/s1
InChIKeyMVKRKPLNBJWGBK-LBPRGKRZSA-N
MW344.36 g/mol
LogP1.32
Rot. Bonds7

About (2S)-2-[(4-acetamido-2-fluorophenyl)sulfonylamino]-3-cyclopropylpropanoic acid

(2S)-2-[(4-acetamido-2-fluorophenyl)sulfonylamino]-3-cyclopropylpropanoic acid (PubChem CID 154742047) has the molecular formula C14H17FN2O5S and a molecular weight of 344.36 g/mol. Its IUPAC name is (2S)-2-[(4-acetamido-2-fluorophenyl)sulfonylamino]-3-cyclopropylpropanoic acid.

Molecular Properties

Compound Name(2S)-2-[(4-acetamido-2-fluorophenyl)sulfonylamino]-3-cyclopropylpropanoic acid
PubChem CID154742047
Molecular FormulaC14H17FN2O5S
Molecular Weight344.36 g/mol
Exact Mass344.08
IUPAC Name(2S)-2-[(4-acetamido-2-fluorophenyl)sulfonylamino]-3-cyclopropylpropanoic acid
SMILESCC(=O)Nc1ccc(S(=O)(=O)N[C@@H](CC2CC2)C(=O)O)c(F)c1
InChIInChI=1S/C14H17FN2O5S/c1-8(18)16-10-4-5-13(11(15)7-10)23(21,22)17-12(14(19)20)6-9-2-3-9/h4-5,7,9,12,17H,2-3,6H2,1H3,(H,16,18)(H,19,20)/t12-/m0/s1
InChIKeyMVKRKPLNBJWGBK-LBPRGKRZSA-N
XLogP1.32
TPSA112.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.36
LogP ≤ 51.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-acetamido-2-fluorophenyl)sulfonylamino]butanoic acid
CID 43427428
N-[3-fluoro-4-[[(2S)-1-hydroxy-3-methylbutan-2-yl]sulfamoyl]phenyl]acetamide
CID 79246647
(2S)-2-[(4-acetamido-2-methylphenyl)sulfonylamino]-3-hydroxypropanoic acid
CID 71387146
2-[(4-acetamido-2-fluorophenyl)sulfonylamino]oxyacetic acid
CID 60748669
N-[3-fluoro-4-[(3-methylcyclopentyl)sulfamoyl]phenyl]acetamide
CID 114545154
N-[3-fluoro-4-[1-hydroxypropan-2-yl(methyl)sulfamoyl]phenyl]acetamide
CID 115875772
2-[4-[(3-cyclopentyl-2-methylpropanoyl)amino]-2-fluorophenyl]acetic acid
CID 122109861
(2R)-2-[(4-acetamidophenyl)sulfonylamino]-3-hydroxypropanoic acid
CID 7448579
N-[4-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]sulfonyl-3-fluorophenyl]acetamide
CID 79410911
N-[3-fluoro-4-[(1-hydroxy-2-methylbutan-2-yl)sulfamoyl]phenyl]acetamide
CID 64557240
(2S)-2-[(4-bromo-2-fluorophenyl)sulfonylamino]pentanoic acid
CID 104934862
2-[(4-acetamido-2-fluorophenyl)sulfonyl-ethylamino]acetic acid
CID 61011984

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4-acetamido-2-fluorophenyl)sulfonylamino]-3-cyclopropylpropanoic acid?
The IUPAC name of (2S)-2-[(4-acetamido-2-fluorophenyl)sulfonylamino]-3-cyclopropylpropanoic acid (CID 154742047) is (2S)-2-[(4-acetamido-2-fluorophenyl)sulfonylamino]-3-cyclopropylpropanoic acid.
What is the SMILES notation for (2S)-2-[(4-acetamido-2-fluorophenyl)sulfonylamino]-3-cyclopropylpropanoic acid?
The canonical SMILES for (2S)-2-[(4-acetamido-2-fluorophenyl)sulfonylamino]-3-cyclopropylpropanoic acid is CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](CC2CC2)C(=O)O)c(F)c1.
What is the InChIKey of (2S)-2-[(4-acetamido-2-fluorophenyl)sulfonylamino]-3-cyclopropylpropanoic acid?
The InChIKey is MVKRKPLNBJWGBK-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H17FN2O5S/c1-8(18)16-10-4-5-13(11(15)7-10)23(21,22)17-12(14(19)20)6-9-2-3-9/h4-5,7,9,12,17H,2-3,6H2,1H3,(H,16,18)(H,19,20)/t12-/m0/s1.
What are the key properties of (2S)-2-[(4-acetamido-2-fluorophenyl)sulfonylamino]-3-cyclopropylpropanoic acid?
(2S)-2-[(4-acetamido-2-fluorophenyl)sulfonylamino]-3-cyclopropylpropanoic acid has a molecular weight of 344.36 g/mol, XLogP of 1.32, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(4-acetamido-2-fluorophenyl)sulfonylamino]-3-cyclopropylpropanoic acid is sourced from PubChem (CID 154742047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).